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CHEBI:212793 - Bonnevillamide C

ChEBI IDCHEBI:212793
ChEBI NameBonnevillamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H64Cl2N6O14
Net Charge0
Average Mass971.930
Monoisotopic Mass970.38576
SMILESCOc1c(Cl)cc(/C=C(\O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N2[C@H](C)[C@@H](OC(C)=O)C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N(O)[C@H](C(=O)N2CCC[C@H]2C(=O)O)C(C)C)[C@@H](C)O)cc1Cl
InChIInChI=1S/C44H64Cl2N6O14/c1-20(2)14-29(48-40(58)35(24(8)53)49-39(57)33(55)18-26-16-27(45)37(65-10)28(46)17-26)41(59)51-23(7)34(66-25(9)54)19-32(51)38(56)47-30(15-21(3)4)42(60)52(64)36(22(5)6)43(61)50-13-11-12-31(50)44(62)63/h16-18,20-24,29-32,34-36,53,55,64H,11-15,19H2,1-10H3,(H,47,56)(H,48,58)(H,49,57)(H,62,63)/b33-18-/t23-,24-,29+,30+,31+,32+,34+,35+,36+/m1/s1
InChIKeyREEDMHDJUZZKLO-UJVKKUCKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28672784)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Bonnevillamide C (CHEBI:212793) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,4S,5R)-4-acetyloxy-1-[(2S)-2-[[(2S,3R)-2-[[(Z)-3-(3,5-dichloro-4-methoxyphenyl)-2-hydroxyprop-2-enoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]-5-methylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]-hydroxyamino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
Manual XrefsDatabases
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